From f790909a2ecfdc888c9c4c71f78b0c8ed0e68fd7 Mon Sep 17 00:00:00 2001
From: Julia Schumann <32182254+schumannj@users.noreply.github.com>
Date: Fri, 26 Jul 2024 14:34:52 +0000
Subject: [PATCH] rename schema to catalysis

---
 .../{schema.py => catalysis.py}               |  8 +++-
 .../schema_packages/mypackage.py              | 38 -------------------
 tests/data/test.archive.yaml                  |  2 +-
 3 files changed, 7 insertions(+), 41 deletions(-)
 rename src/nomad_catalysis/schema_packages/{schema.py => catalysis.py} (98%)
 delete mode 100644 src/nomad_catalysis/schema_packages/mypackage.py

diff --git a/src/nomad_catalysis/schema_packages/schema.py b/src/nomad_catalysis/schema_packages/catalysis.py
similarity index 98%
rename from src/nomad_catalysis/schema_packages/schema.py
rename to src/nomad_catalysis/schema_packages/catalysis.py
index d96a51c..250fef6 100644
--- a/src/nomad_catalysis/schema_packages/schema.py
+++ b/src/nomad_catalysis/schema_packages/catalysis.py
@@ -60,7 +60,10 @@ class CatalysisElnCategory(EntryDataCategory):
 
 
 def add_catalyst(archive: 'EntryArchive') -> None:
-    """Adds metainfo structure for catalysis data to the results section of the supplied archive."""
+    '''
+    Adds metainfo structure for catalysis data to the results section of the supplied
+    archive.
+    '''
     if not archive.results:
         archive.results = Results()
     if not archive.results.properties:
@@ -71,8 +74,8 @@ def add_catalyst(archive: 'EntryArchive') -> None:
         archive.results.properties.catalytic.catalyst = Catalyst()
 
 
-# helper function to retrieve nested attributes
 def get_nested_attr(obj, attr_path):
+    '''helper function to retrieve nested attributes'''
     for attr in attr_path.split('.'):
         obj = getattr(obj, attr, None)
         if obj is None:
@@ -81,6 +84,7 @@ def get_nested_attr(obj, attr_path):
 
 
 def set_nested_attr(obj, attr_path, value):
+    '''helper function to set nested attributes'''
     for attr in attr_path.split('.'):
         obj = getattr(obj, attr, None)
         if obj is None:
diff --git a/src/nomad_catalysis/schema_packages/mypackage.py b/src/nomad_catalysis/schema_packages/mypackage.py
deleted file mode 100644
index 1bdc891..0000000
--- a/src/nomad_catalysis/schema_packages/mypackage.py
+++ /dev/null
@@ -1,38 +0,0 @@
-from typing import (
-    TYPE_CHECKING,
-)
-
-if TYPE_CHECKING:
-    from nomad.datamodel.datamodel import (
-        EntryArchive,
-    )
-    from structlog.stdlib import (
-        BoundLogger,
-    )
-
-from nomad.config import config
-from nomad.datamodel.data import Schema
-from nomad.datamodel.metainfo.annotations import ELNAnnotation, ELNComponentEnum
-from nomad.metainfo import Quantity, SchemaPackage
-
-configuration = config.get_plugin_entry_point(
-    'nomad_catalysis.schema_packages:mypackage'
-)
-
-m_package = SchemaPackage()
-
-
-class MySchema(Schema):
-    name = Quantity(
-        type=str, a_eln=ELNAnnotation(component=ELNComponentEnum.StringEditQuantity)
-    )
-    message = Quantity(type=str)
-
-    def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None:
-        super().normalize(archive, logger)
-
-        logger.info('MySchema.normalize', parameter=configuration.parameter)
-        self.message = f'Hello {self.name}!'
-
-
-m_package.__init_metainfo__()
diff --git a/tests/data/test.archive.yaml b/tests/data/test.archive.yaml
index 22be3a7..c57f444 100644
--- a/tests/data/test.archive.yaml
+++ b/tests/data/test.archive.yaml
@@ -1,5 +1,5 @@
 data:
-  m_def: nomad_catalysis.schema_packages.schema.CatalystSample
+  m_def: nomad_catalysis.schema_packages.catalysis.CatalystSample
   name: MoO3
   catalyst_type: ['bulk catalyst']
   description: 'Pressing and sieving of 24.22 g, Pressing conditions: 3 t, 1 min'